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| Preview | Issue Date | Title | Author(s) |
| 2018 | 2D MoN-VN heterostructure to regulate polysulfides for highly efficient lithium-sulfur batteries | Ye, C.; Jiao, Y.; Jin, H.; Slattery, A.; Davey, K.; Wang, H.; Qiao, S. |
| 2019 | A computational study on Pt and Ru dimers supported on graphene for the hydrogen evolution reaction: new insight into the alkaline mechanism | Liu, X.; Jiao, Y.; Zheng, Y.; Davey, K.; Qiao, S.Z. |
| 2021 | A Mo₅N₆ electrocatalyst for efficient Na₂S electrodeposition in room-temperature sodium-sulfur batteries | Ye, C.; Jin, H.; Shan, J.; Jiao, Y.; Li, H.; Gu, Q.; Davey, K.; Wang, H.; Qiao, S.-Z. |
| 2023 | A New Insight of Anti‐Solvent Electrolytes for Aqueous Zinc‐Ion Batteries by Molecular Modeling | Zhu, Y.; Hao, J.; Huang, Y.; Jiao, Y. |
| 2023 | Acidic CO2-to-HCOOH electrolysis with industrial-level current on phase engineered tin sulfide. | Shen, H.; Jin, H.; Li, H.; Wang, H.; Duan, J.; Jiao, Y.; Qiao, S.-Z. |
| 2017 | Activating cobalt(II) oxide nanorods for efficient electrocatalysis by strain engineering | Ling, T.; Yan, D.-Y.; Wang, H.; Jiao, Y.; Hu, Z.; Zheng, Y.; Zheng, L.; Mao, J.; Liu, H.; Du, X.-W.; Jaroniec, M.; Qiao, S.-Z. |
| 2023 | Active-learning accelerated computational screening of A₂B@NG catalysts for CO₂ electrochemical reduction | Li, X.; Li, H.; Zhang, Z.; Shi, J.Q.; Jiao, Y.; Qiao, S.-Z. |
| 2023 | Activity and Selectivity Roadmap for C-N Electro-Coupling on MXenes | Jiao, Y.; Li, H.; Jiao, Y.; Qiao, S.-Z. |
| 2016 | Activity origin and catalyst design principles for electrocatalytic hydrogen evolution on heteroatom-doped graphene | Jiao, Y.; Zheng, Y.; Davey, K.; Qiao, S. |
| 2010 | Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory | Jiao, Y.; Du, A.; Zhu, Z.; Rudolph, V.; Smith, S. |
| 2015 | Advancing the electrochemistry of the hydrogen-evolution reaction through combining experiment and theory | Zheng, Y.; Jiao, Y.; Jaroniec, M.; Qiao, S. |
| 2012 | Asymmetrically decorated, doped porous graphene as an effective membrane for hydrogen isotope separation | Hankel, M.; Jiao, Y.; Du, A.; Gray, S.; Smith, S. |
| 2023 | Atomic-Level Regulated Two-Dimensional ReSe₂ : A Universal Platform Boosting Photocatalysis | Ran, J.; Chen, L.; Wang, D.; Talebian Kiakalaieh, A.; Jiao, Y.; Adel Hamza, M.; Qu, Y.; Jing, L.; Davey, K.; Qiao, S. |
| 2023 | Boosting Alkaline Hydrogen Evolution Reaction through Water Structure Manipulation | Jiao, Y.; Zheng, Y. |
| 2023 | Boosting urea electrooxidation on oxyanion-engineered nickel sites via inhibited water oxidation | Gao, X.; Bai, X.; Wang, P.; Jiao, Y.; Davey, K.; Zheng, Y.; Qiao, S.-Z. |
| 2019 | Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts | Liu, X.; Jiao, Y.; Zheng, Y.; Jaroniec, M.; Qiao, S.Z. |
| 2015 | Calculations of helium separation via uniform pores of stanene-based membranes | Gao, G.; Jiao, Y.; Jiao, Y.; Ma, F.; Kou, L.; Du, A. |
| 2022 | Carbene Ligands Enabled C-N Coupling for Methylamine Electrosynthesis: A Computational Study | Chen, L.; Tang, C.; Zheng, Y.; Ostrikov, K.; Jiao, Y. |
| 2015 | Charge mediated semiconducting-to-metallic phase transition in molybdenum disulfide monolayer and hydrogen evolution reaction in new 1T' phase | Gao, G.; Jiao, Y.; Ma, F.; Jiao, Y.; Waclawik, E.; Du, A. |
| 2018 | Charge state manipulation of cobalt selenide catalyst for overall seawater electrolysis | Zhao, Y.; Jin, B.; Zheng, Y.; Jin, H.; Jiao, Y.; Qiao, S. |
